3-(2,4-dichlorophenyl)-6-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

C10H6Cl2N4S — CID 665756

IUPAC3-(2,4-dichlorophenyl)-6-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESCc1nn2c(-c3ccc(Cl)cc3Cl)nnc2s1
InChIInChI=1S/C10H6Cl2N4S/c1-5-15-16-9(13-14-10(16)17-5)7-3-2-6(11)4-8(7)12/h2-4H,1H3
InChIKeyZXPAHMQTOTWHBA-UHFFFAOYSA-N
MW285.16 g/mol
LogP3.47
Rot. Bonds1

About 3-(2,4-dichlorophenyl)-6-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

3-(2,4-dichlorophenyl)-6-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (PubChem CID 665756) has the molecular formula C10H6Cl2N4S and a molecular weight of 285.16 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-6-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-6-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
PubChem CID665756
Molecular FormulaC10H6Cl2N4S
Molecular Weight285.16 g/mol
Exact Mass283.97
IUPAC Name3-(2,4-dichlorophenyl)-6-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESCc1nn2c(-c3ccc(Cl)cc3Cl)nnc2s1
InChIInChI=1S/C10H6Cl2N4S/c1-5-15-16-9(13-14-10(16)17-5)7-3-2-6(11)4-8(7)12/h2-4H,1H3
InChIKeyZXPAHMQTOTWHBA-UHFFFAOYSA-N
XLogP3.47
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.16
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-6-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The IUPAC name of 3-(2,4-dichlorophenyl)-6-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CID 665756) is 3-(2,4-dichlorophenyl)-6-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-6-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The canonical SMILES for 3-(2,4-dichlorophenyl)-6-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is Cc1nn2c(-c3ccc(Cl)cc3Cl)nnc2s1.
What is the InChIKey of 3-(2,4-dichlorophenyl)-6-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The InChIKey is ZXPAHMQTOTWHBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2N4S/c1-5-15-16-9(13-14-10(16)17-5)7-3-2-6(11)4-8(7)12/h2-4H,1H3.
What are the key properties of 3-(2,4-dichlorophenyl)-6-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
3-(2,4-dichlorophenyl)-6-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole has a molecular weight of 285.16 g/mol, XLogP of 3.47, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-6-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is sourced from PubChem (CID 665756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).